[The oxenoid model of the mechanism of activating molecular oxygen by cytochrome p450: the role of substrate structure].
The arene oxides formation energy for about 30 benzene derivatives were calculated in frames of MO LCAO method. The benzene derivatives are typical substrates of cytochrome P-450 catalyzed aromatic oxidation. The relationship between the formation energy of tetrahedral type arene oxides and the relative reactivity of substrates toward microsomal hydroxylation was found. The formation energy of arene oxides correlates also with toxicity of benzene derivatives. Some limitations of the oxenoid model are discussed.
Kuznetsov
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AV
D000818:Animals; D002417:Cattle; D003577:Cytochrome P-450 Enzyme System / Q000737:chemistry*; D010084:Oxidation-Reduction; D010100:Oxygen / Q000737:chemistry*; D013379:Substrate Specificity
D003577:Cytochrome P-450 Enzyme System; D010100:Oxygen
K oksenoidnoĭ modeli mekhanizma aktivatsii molekuliarnogo kisloroda tsitokhromom P450: rol' struktury substrata.